SCHEMBL10100069

SCHEMBL10100069

C=CCC[C@@H]1CC(C)C(=O)O1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19275335 1.00 FAAH (0.32) FAAH
SCHEMBL19270737 1.00 FAAH (0.32) FAAH
SCHEMBL19270736 1.00 FAAH (0.32) FAAH
SCHEMBL30886703 0.79 POLB (0.31)
SCHEMBL7522716 0.79 POLB (0.31)
SCHEMBL9450620 0.77 KMT2A (0.40)
SCHEMBL9450621 0.77 KMT2A (0.40)
SCHEMBL22911742 0.77 KMT2A (0.40)
SCHEMBL9450617 0.77 KMT2A (0.40)
SCHEMBL18227498 0.76

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191479-B1 \"PROCESS FOR THE PREPARATION OF MACROCYCLIC KETONE ANALOGS OF HALICHONDRIN B OR PHARMACEUTICALLY ACCEPTABLE SALTS AND INTERMEDIATES THEREOF\ CIPLA LTD (IN) 2020-04-08 EP disclosed
EP-2949652-B1 Intermediates for the preparation of halichondrin B EISAI R&D MAN CO LTD (JP) 2019-08-07 EP disclosed
US-RE46965-E1 Intermediates for the preparation of analogs of Halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-07-24 US disclosed
US-RE46965-E1 Intermediates for the preparation of analogs of Halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-07-24 US disclosed
US-20170240561-A1 PROCESS FOR THE PREPARATION OF MACROCYCLIC KETONE ANALOGS OF HALICHONDRIN B OR PHARMACEUTICALLY ACCEPTABLE SALTS AND INTERMEDIATES THEREOF CIPLA LIMITED (IN) 2017-08-24 US disclosed
US-20170240561-A1 PROCESS FOR THE PREPARATION OF MACROCYCLIC KETONE ANALOGS OF HALICHONDRIN B OR PHARMACEUTICALLY ACCEPTABLE SALTS AND INTERMEDIATES THEREOF CIPLA LIMITED (IN) 2017-08-24 US disclosed
US-9303050-B2 Intermediates for the preparation of analogs of Halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-04-05 US disclosed
US-9303050-B2 Intermediates for the preparation of analogs of Halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-04-05 US disclosed
EP-2949652-A1 Intermediates for the preparation of halichondrin B Eisai R&D Management Co., Ltd. (JP) 2015-12-02 EP disclosed
US-20150232490-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-08-20 US disclosed
US-8445701-B2 Intermediates for the preparation of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-05-21 US disclosed
US-20120309988-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-12-06 US disclosed
US-20120309988-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-12-06 US disclosed
EP-2522663-A1 Intermediates for the preparation of halichondrin B Eisai R&D Management Co., Ltd. (JP) 2012-11-14 EP disclosed
US-20120029213-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029213-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-02 US disclosed
US-7982060-B2 Intermediates for the preparation of analogs of Halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-19 US disclosed
US-7982060-B2 Intermediates for the preparation of analogs of Halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-19 US disclosed
US-20070244187-A1 Intermediates for the Preparation of Halichondrin B EISAI CO., LTD (JP) 2007-10-18 US disclosed
US-20070244187-A1 Intermediates for the Preparation of Halichondrin B EISAI CO., LTD (JP) 2007-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070244187-A1 Intermediates for the Preparation of Halichondrin B CDK4, CCNB1, CDK14 FAAH 4184/4885
US-20170240561-A1 PROCESS FOR THE PREPARATION OF MACROCYCLIC KETONE ANALOGS OF HALICHONDRIN B OR PHARMACEUTICALLY ACCEPTABLE SALTS AND INTERMEDIATES THEREOF HSD17B7, HKDC1, CYP8B1 FAAH 3398/4885
US-20120029213-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B FAAH 3540/4885
US-20120309988-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B ACVR1B, ACVR2B, BMP2 FAAH 3651/4885
US-20150232490-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B FAAH 3540/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.